Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011364

Phytochemical name: 1-Iodooctadecane

Synonymous chemical names:
1-Iodooctadecane, 1-iodo-octadecane, 1-iodooctadecane

External chemical identifiers:
CID:CID_12402, ZINC:ZINC000006920368, SureChEMBL:SCHEMBL226201, MolPort-001-791-987

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCI

InChI:
InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

InChIKey:
ZNJOCVLVYVOUGB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCI

Functional groups:
CI

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organoiodides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.175

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Chemical structure download